Product Name

  • Name

    Ethanone, 2-hydroxy-1-(1H-indol-5-yl)-

  • EINECS
  • CAS No. 38693-06-0
  • Density 1.338g/cm3
  • Solubility
  • Melting Point
  • Formula C10H9NO2
  • Boiling Point 399.1°C at 760 mmHg
  • Molecular Weight 175.20
  • Flash Point 195.2°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 38693-06-0 (Ethanone, 2-hydroxy-1-(1H-indol-5-yl)-)
  • Hazard Symbols
  • Synonyms 2-hydroxy-1-indol-5-yl-ethanone;5-Hydroxyacetyl-indol;KETONE,HYDROXYMETHYL 5-INDOLYL;
  • PSA 53.09000
  • LogP 1.34290

5-(Hydroxyacetyl)indole Chemical Properties

Product Name: 5-(Hydroxyacetyl)indole (CAS NO.38693-06-0)


Molecular Formula: C10H9NO2
Molecular Weight: 175.184g/mol
Mol File: 38693-06-0.mol
Boiling point: 399.1 °C at 760 mmHg
Flash Point: 195.2 °C
Density: 1.338 g/cm3
Surface Tension: 65.6 dyne/cm
Enthalpy of Vaporization: 68.52 kJ/mol
Vapour Pressure: 4.38E-07 mmHg at 25°C
XLogP3-AA: 1.3
H-Bond Donor: 2
H-Bond Acceptor: 2
IUPAC Name: 2-hydroxy-1-(1H-indol-5-yl)ethanone
Canonical SMILES: C1=CC2=C(C=CN2)C=C1C(=O)CO
InChI: InChI=1S/C10H9NO2/c12-6-10(13)8-1-2-9-7(5-8)3-4-11-9/h1-5,11-12H,6H2 
InChIKey: KOMURGMEAMZZIX-UHFFFAOYSA-N

5-(Hydroxyacetyl)indole Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 600mg/kg (600mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

BEHAVIORAL: ANTICONVULSANT

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Pharmaceutical Chemistry Journal Vol. 6, Pg. 33, 1972.

5-(Hydroxyacetyl)indole Safety Profile

Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.

5-(Hydroxyacetyl)indole Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

5-(Hydroxyacetyl)indole Specification

 5-(Hydroxyacetyl)indole ,its CAS NO. is 38693-06-0,the synonyms is 5-21-12-00357 (Beilstein Handbook Reference) ; BRN 1453255 ; Ketone, hydroxymethyl 5-indolyl .

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